SCHEMBL9911040

SCHEMBL9911040

CCc1ccnn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.38
SMPD3 Q9NY59 2/20 0.36
AXL P30530 1/20 0.35
THRB P10828 1/20 0.34
SYK P43405 1/20 0.34
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSF1R P07333 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CDK2 P24941 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9934113 0.85 SMPD3 (0.35) KDM4EALDH1A1IRAK4SMPD3AXL
SCHEMBL21531956 0.80 GABRA1 (0.36) KDM4EALDH1A1IRAK4SMPD3AXL
SCHEMBL19155876 0.80 NPC1 (0.35) KDM4EALDH1A1SMPD3AXLHTT
SCHEMBL10865558 0.77 ALDH1A1 (0.37) KDM4EALDH1A1SMPD3AXLHSD17B10
SCHEMBL805457 0.76 SMPD3 (0.55) KDM4EALDH1A1IRAK4SMPD3AXL
SCHEMBL10289637 0.76 HTT (0.51) KDM4EALDH1A1IRAK4HPGDHTT
SCHEMBL9124027 0.74 SMPD3 (0.39) KDM4EALDH1A1IRAK4SMPD3AXL
SCHEMBL3314980 0.73 NUDT1 (0.41) KDM4EALDH1A1THRB
Hydrochloric Acid SCHEMBL31619326 0.72 SMPD3 (0.38) KDM4EALDH1A1IRAK4SMPD3AXL
SCHEMBL19155604 0.72 SMPD3 (0.33) ALDH1A1SMPD3AXLHSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET KDM4E 4500/4885ALDH1A1 156/4885IRAK4 1455/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET KDM4E 4500/4885ALDH1A1 156/4885IRAK4 1455/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885ALDH1A1 3154/4885IRAK4 567/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET KDM4E 3768/4885ALDH1A1 1377/4885IRAK4 490/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 KDM4E 3754/4885ALDH1A1 3749/4885IRAK4 807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.